Compound Identification
SMILES
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O.CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1
InChIKey
InChIKey=HQCRDPWVBOKYAA-YDLGIYAPSA-N
Formula
C49H78O4
Mass
731.159
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Quinone and hydroquinone lipids
-
Level 5
Vitamin E compounds
- Level 6 Tocopherols
-
Level 5
Vitamin E compounds
-
Subclass
Quinone and hydroquinone lipids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Quinone and hydroquinone lipids
Intermediate Tree Nodes
Vitamin E compounds
Direct Parent
Tocopherols
Alternative Parents
Retinoids Diterpenoids 1-benzopyrans Medium-chain fatty acids Phenols Methyl-branched fatty acids Alkyl aryl ethers Unsaturated fatty acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Tocopherol - Retinoic acid - Diterpenoid - Retinoid skeleton - Chromane - Benzopyran - 1-benzopyran - Medium-chain fatty acid - Alkyl aryl ether - Branched fatty acid - Methyl-branched fatty acid - Phenol - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tocopherols. These are vitamin E derivatives containing a saturated trimethyltridecyl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocotrienols that contain an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain.
External Descriptors
Not available